Molecule FYI-1006798

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A

Molecule Summary:

ID: FYI-1006798
Names:
InChIKey: GNQJZIJHVQFSOM-UHFFFAOYSA-N
SMILES: CC(C)CC(C)(C)CCC(C)C(C)C

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006798 Edit

Molecule Structure InChIKey: GNQJZIJHVQFSOM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CC(C)(C)CCC(C)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006798
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006798-3D
FYIcenter.com

 44 43  0     1  0  0  0  0  0999 V2000
    1.3653    1.0356   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764    0.2278    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736    0.1026   -0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2162    1.0506    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766    0.2265    0.6643 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2861   -0.7465    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6936   -1.0432   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969    1.7366    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762    2.1203   -1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7164    1.1333    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389   -1.5790   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855   -1.6921    1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153   -0.6869   -1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8807   -1.8857    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -0.5025   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -0.3360    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027    0.7263   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0328   -0.5507   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189    1.5757   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741    1.8245    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -0.1216    1.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8260   -0.0934    0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8076   -1.6835   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0244    1.0515    1.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    2.2233    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    2.5168    1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    1.6806   -2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950    2.8922   -0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956    2.6386   -1.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9347    1.5403   -0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6044    0.6124    1.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5522    1.9859    1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712   -2.2855   -1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528   -2.1505    0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098   -0.9321   -1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525   -2.1962    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731   -1.1756    1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9846   -2.4727    1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -0.1078   -2.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925   -1.6015   -2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8383   -0.1204   -1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033   -2.8457   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7974   -2.0995    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8415   -1.3942    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
M  END
$$$$

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2024-01-24, 451👍, 0💬